CID 135468

1,4-bis((2-(dimethylamino)ethyl)amino)-5,8-dihydroxyanthracene-9,10-dione

Structural Information

Molecular Formula
C22H28N4O4
SMILES
CN(C)CCNC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(C=CC(=C3C2=O)O)O
InChI
InChI=1S/C22H28N4O4/c1-25(2)11-9-23-13-5-6-14(24-10-12-26(3)4)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30/h5-8,23-24,27-28H,9-12H2,1-4H3
InChIKey
DBAMBJQJKDHEQX-UHFFFAOYSA-N
Compound name
1,4-bis[2-(dimethylamino)ethylamino]-5,8-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

108
Patents

412.21106 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.21834 197.5
[M+Na]+ 435.20028 202.8
[M-H]- 411.20378 202.7
[M+NH4]+ 430.24488 209.3
[M+K]+ 451.17422 200.5
[M+H-H2O]+ 395.20832 188.8
[M+HCOO]- 457.20926 218.4
[M+CH3COO]- 471.22491 244.3
[M+Na-2H]- 433.18573 199.3
[M]+ 412.21051 201.0
[M]- 412.21161 201.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe